Absolute Binding Free Energy Calculations of Sparsomycin Analogs to the Bacterial Ribosome

The interactions of the 50S subunit of bacterial ribosome with antibiotic sparsomycin (SPS) and five analogs (AN) are investigated through the calculation of the standard (absolute) binding free energy and the characterization of conformational dynamics. The standard binding free energies of the com...

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Veröffentlicht in:	The journal of physical chemistry. B 2010-07, Vol.114 (29), p.9525-9539
Hauptverfasser:	Ge, Xiaoxia, Roux, Benoît
Format:	Artikel
Sprache:	eng
Schlagworte:	Antibiotics, Antineoplastic - chemistry B: Statistical Mechanics, Thermodynamics, Medium Effects Binding Sites Molecular Dynamics Simulation Monte Carlo Method Ribosome Subunits, Large, Bacterial - chemistry Sparsomycin - analogs & derivatives Thermodynamics Water - chemistry
Online-Zugang:	Volltext
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